title: Evaluation of domain models for β-cristobalite from the pair distribution function.
abstract: We address the question of whether the structural disorder in the high-temperature β-cristobalite phase of silica can be explained on the basis of domain models using a new technique of phonon-based computer simulations of the pair distribution function. None of the domain models give as good an agreement to experimental data as previously reported atomic configurations derived from a reverse Monte Carlo analysis that are consistent with the rigid unit mode model.
authors.affiliation: Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK. ers29@cam.ac.uk
authors.forename: Elizabeth R
authors.initials: ER
authors.lastname: Cope
authors.forename: Martin T
authors.initials: MT
authors.lastname: Dove